| CAS Number | 1464151-33-4 |
| Catalog Number | AG01EOIP(AGN-PC-3H46E9) |
| Chemical Name | ETC-206 |
| IUPAC Name | 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile |
| InChI | InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2 |
| InChI Key | FWRFPHJSGLYXTD-UHFFFAOYSA-N |
| MDL Number | MFCD31692387 |
| Molecular Formula | C25H20N4O2 |
| Molecular Weight | 408.4519 |
| SMILES | N#CC1=CC=C(C2=CN=C3C=CC(C4=CC=C(C(N5CCOCC5)=O)C=C4)=CN32)C=C1 |
| Synonyms | ETC-206,
1464151-33-4,
SCHEMBL15288605,
FWRFPHJSGLYXTD-UHFFFAOYSA-N,
HY-112424,
CS-0046041,
4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-a]pyridin-3-yl)benzonitrile,
|
| Complexity | 668 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.461g/mol |
| Monoisotopic Mass | 408.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number